ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1925582 | CCOCC1CCN(C(=O)NC2CCCc3cc(F)ccc32)C1 | [C][C][O][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O][C][Ring2][Ring1][Ring1] | N5C1CCCc2cc(F)ccc21.C18CCN4C1.C45=O.CC6.O67.C78 |
1925583 | CC(C(=O)NC1CCN(C(N)=O)C1)c1ccc(Br)cc1 | [C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.C14CCN3C1.CC5C2=O.C3(N)=O.N24 |
1925584 | CNC(=O)c1cccc(C(=O)NC(C)CC(=O)c2ccc(F)cc2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c16cccc7c1.c18ccc(F)cc1.C5(C)CC8=O.C36=O.C47=O.CN3.N45 |
1925585 | CC(CC(=O)c1ccc(F)cc1)NC(=O)c1ccncc1Cl | [C][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | c14ccc(F)cc1.c15ccncc1Cl.CC3CC4=O.C25=O.N23 |
1925586 | CC(CC(=O)c1ccc(F)cc1)NC(=O)c1csnn1 | [C][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1] | c15ccc(F)cc1.CC3CC5=O.c14csnn1.C24=O.N23 |
1925588 | O=C(CSc1nc2ccccc2[nH]1)NCc1csc(=O)[nH]1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][=C][S][C][=Branch1][C][=O][NH1][Ring1][=Branch1] | c17nc2ccccc2[nH]1.c16csc(=O)[nH]1.O=C3C5.S57.N34.C46 |
1925589 | FC(F)(F)c1ccc(NCc2ncc(-c3ccccc3)o2)nn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][=N][Ring2][Ring1][Ring1] | c16ccc5nn1.c17ncc8o1.c18ccccc1.FC6(F)F.N45.C47 |
1925590 | CCc1ncnc(NCCOc2ccc3c(c2)CCC(=O)N3)c1F | [C][C][C][=N][C][=N][C][Branch2][Ring1][Branch2][N][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][Ring2][Ring1][Branch1][F] | c15ccc2c(c1)CCC(=O)N2.c18ncnc7c1F.C6C4.CC8.N67.O45 |
1925591 | CCc1ncnc(N2CCN(C(=O)c3cccnc3)CC2)c1F | [C][C][C][=N][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2][F] | c17ncnc5c1F.N15CCN4CC1.c16cccnc1.C46=O.CC7 |
1925592 | CS(=O)(=O)c1ccc(Sc2ccc(C(F)(F)F)nn2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch2][C][=C][Ring1][P] | CS(=O)(=O)c1ccc5cc1.c14ccc3nn1.C3(F)(F)F.S45 |
1925593 | O=S(=O)(Cc1cccc2cccnc12)NCc1ccncc1 | [O][=S][=Branch1][C][=O][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc2cccnc12.c16ccncc1.O=S4(=O)C5.N34.C36 |
1925594 | O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1ccncc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cccc5c1.c16ccncc1.O=S3(=O)C4.C5(F)(F)F.N23.C26 |
1925595 | O=S(=O)(NCc1ccncc1)c1c[nH]c2ncccc12 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | O=S4(=O)c1c[nH]c2ncccc12.c15ccncc1.N34.C35 |
1925596 | C=CC(C)NC(=O)N1CCN(Cc2ccncc2)CC1 | [C][=C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N14CCN6CC1.c17ccncc1.C=CC5C.C34=O.N35.C67 |
1925597 | CCc1ncnc(NC(c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c1F | [C][C][C][=N][C][=N][C][Branch2][Ring1][=N][N][C][Branch1][P][C][=N][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][=N][O][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1][F] | c16ncnc5c1F.C47C(C)(C)C.c17nc8no1.c18nc[nH]n1.CC6.N45 |
1925598 | Cc1nnc(C2Cc3ccccc3CN2C(=O)OC(C)(C)C)o1 | [C][C][=N][N][=C][Branch2][Ring1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][=Branch1] | C17Cc2ccccc2CN15.Cc1nnc7o1.C6(C)(C)C.C45=O.O46 |
1925599 | CCN(CC)C(=O)N1Cc2ccccc2CC1c1nnc(C)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1] | N14Cc2ccccc2CC17.c17nnc(C)o1.N356.C34=O.CC5.C6C |
1925600 | CCS(=O)(=O)Nc1ccc(NCc2cc(C)oc2C)cc1OC | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=C][Ring1][#C][O][C] | c16ccc7cc13.c18cc(C)oc1C.CCS5(=O)=O.N56.N47.C48.O3C |
1925601 | OCc1ccc(Cl)c(NCc2cnc(-c3cccnc3)s2)c1 | [O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][N][C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][=C][Ring2][Ring1][Ring2] | c17ccc(Cl)c5c1.c16cnc8s1.c18cccnc1.OC7.N45.C46 |
1925602 | O=C1CCCc2cc(NC(=O)c3cccc(-c4ncn[nH]4)c3)ccc2N1 | [O][=C][C][C][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=N][NH1][Ring1][Branch1][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][=Branch2] | O=C1CCCc2cc6ccc2N1.c17cccc8c1.c18ncn[nH]1.C57=O.N56 |
1925603 | CC(=O)Nc1ccc(NCc2ccco2)c(Br)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][=C] | c15ccc6c(Br)c1.c17ccco1.CC3=O.N35.N46.C47 |
1925604 | O=C(CO)N1CCN(Cc2ccc(F)cc2F)CC1 | [O][=C][Branch1][Ring1][C][O][N][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C] | c15ccc(F)cc1F.N13CCN4CC1.O=C3CO.C45 |
1925605 | N#Cc1ccc(F)cc1CN1CCN(C(=O)CO)CC1 | [N][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2] | N#Cc1ccc(F)cc14.N13CCN2CC1.C2(=O)CO.C34 |
1925606 | O=C(CNC(=O)c1cc(F)cc2cccnc12)Nc1ccccn1 | [O][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17cc(F)cc2cccnc12.c16ccccn1.O=C3C5.C47=O.N45.N36 |
1925607 | Cn1cnnc1C1CCCN1C(=O)Nc1ccc(-n2cccn2)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c15ccc6cc1.Cn1cnnc17.C17CCCN13.n16cccn1.C34=O.N45 |
1925608 | C#CCN1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 | [C][#C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][Branch2][C][=Ring1][N][C][C][Ring2][Ring1][Branch1] | c17ccc2nn8cc2c1.N16CCN4CC1.C#CC6.C45=O.C8(C)C.N57 |
1925609 | Cc1cc(NC(=O)NCCCN2CCCC2=O)ccn1 | [C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][=C][C][=N][Ring2][Ring1][Ring1] | Cc1cc6ccn1.N17CCCC1=O.C5CC7.C34=O.N36.N45 |
1925610 | COc1cc(CNC(=O)Nc2ccnc(C)c2)ccn1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][C] | c15cc8ccn1.c17ccnc(C)c1.C34=O.CO5.C68.N36.N47 |
1925611 | Cc1cc(NC(=O)NCCC(=O)Nc2ccccc2)ccn1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][Branch1] | Cc1cc7ccn1.c18ccccc1.C6CC5=O.C34=O.N37.N46.N58 |
1925612 | Cc1cnccc1NC(=O)NC1COc2ccccc21 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N4C1COc2ccccc21.Cc1cnccc15.C34=O.N35 |
1925613 | Cc1cnccc1NC(=O)NCCC(=O)Nc1ccccc1 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cnccc16.c17ccccc1.C5CC4=O.C23=O.N26.N35.N47 |
1925614 | Cc1cc(NC(=O)N2CCCC2)nn1CCCOc1ccc(F)cc1 | [C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][Ring1][=N][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1cc7nn18.c16ccc(F)cc1.N14CCCC1.C8CC5.C34=O.N37.O56 |
1925615 | O=C(NCc1ccc2c(c1)CCC2)N1CCCC2(C1)OCCO2 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1] | N14CCCC2(C1)OCCO2.c16ccc2c(c1)CCC2.O=C34.N35.C56 |
1925616 | C=C(C)COc1cc(CN2CCN(C(C)=O)CC2)ccc1OC | [C][=C][Branch1][C][C][C][O][C][=C][C][Branch1][P][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][=C][C][=C][Ring1][S][O][C] | c15cc8ccc16.N17CCN3CC1.C=C(C)C4.C3(C)=O.O45.C78.O6C |
1925618 | CN(C)c1nc(-c2ccccc2)c(CN2CCC(O)CC2)s1 | [C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=N][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][S][Ring2][Ring1][Ring1] | c14nc6c5s1.N13CCC(O)CC1.c16ccccc1.CN4C.C35 |
1925619 | CN(C)C(=O)c1ccc(CN2CCN(Cc3cccs3)CC2)[nH]1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][NH1][Ring2][Ring1][C] | N15CCN6CC1.c17ccc8[nH]1.c19cccs1.CN4C.C47=O.C58.C69 |
1925620 | N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccoc3)CC2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | N#Cc1ccc(S5(=O)=O)cc1.N15CCN4CC1.c16ccoc1.C46 |
1925621 | CS(=O)(=O)N1CCN(Cc2ccc(Cl)c(F)c2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][#C] | c15ccc(Cl)c(F)c1.N14CCN3CC1.CS4(=O)=O.C35 |
1925622 | CCn1nc(C)c(CN2CCN(S(=O)(=O)CC)CC2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][O][=C][Ring2][Ring1][C][C] | n15nc(C)c6c1C.N13CCN4CC1.S4(=O)(=O)CC.CC5.C36 |
1925623 | COCC(=O)N1CCN(Cc2c(Cl)cccc2OC)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][C][C][Ring1][S] | c17c5cccc1Cl.N13CCN6CC1.C4C3=O.CO4.C67.O5C |
1925624 | C#CCOc1ccccc1CN1CCN(C(=O)COC)CC1 | [C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][O][C][C][C][Ring1][O] | c15ccccc17.N16CCN2CC1.C2(=O)C4.C#CC3.O35.C67.O4C |
1925625 | COCC(=O)N1CCN(Cc2cc(O)ccc2Br)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Br][C][C][Ring1][#C] | c16cc(O)ccc1Br.N13CCN5CC1.C4C3=O.CO4.C56 |
1925627 | COc1cc(-c2noc(-c3ccn4ccnc4c3)n2)ccn1 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=N][O][C][Branch1][=C][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][=N][Ring1][=C][=C][C][=N][Ring2][Ring1][Ring2] | c17ccn2ccnc2c1.c15cc6ccn1.c16noc7n1.CO5 |
1925628 | COCc1ccc(CN2CCN(C(=O)N(C)C)CC2)cc1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][C] | c17ccc8cc1.N16CCN3CC1.C34=O.N4(C)C.CO5.C57.C68 |
1925629 | C=CCOc1ccc(CN2CCN(c3cnccn3)CC2)cc1 | [C][=C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.N16CCN7CC1.c17cnccn1.C=CC4.O45.C68 |
1925630 | O=C(NCc1ncc[nH]1)Nc1c(F)cccc1OCc1ccccc1 | [O][=C][Branch1][#Branch2][N][C][C][=N][C][=C][NH1][Ring1][Branch1][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17c5cccc1F.c19ccccc1.c18ncc[nH]1.O=C23.N26.C68.N37.O45.C49 |
1925631 | CC(C)c1nc(C2CN(C3CCCCC3)CCO2)no1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring1][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][O][Ring1][N][=N][O][Ring1][P] | C16CN4CCO1.c15nc6no1.C14CCCCC1.CC5C |
1925633 | COC(=O)C1c2ccccc2CCN1Cc1ccc([S+](C)[O-])cc1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C][=C][Ring1][=Branch2] | C3(=O)C1c2ccccc2CCN14.c15ccc([S+](C)[O-])cc1.CO3.C45 |
1925634 | Cc1ccc(O)c(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(O)c4c1.N13CCOCC15.c15c(C)n[nH]c1C.C34=O |
1925635 | COC(=O)C(OC(=O)C=C(C)c1ccc(F)cc1)C1CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | C=5(C)c1ccc(F)cc1.C2(=O)C46.C3(=O)C=5.C16CC1.CO2.O34 |
1925636 | CCCCCC(=O)N1CCCCC1c1nc[nH]n1 | [C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | CCCCCC2=O.N12CCCCC13.c13nc[nH]n1 |
1925637 | O=C(CCc1cccc(F)c1)N1CCCCC1c1nc[nH]n1 | [O][=C][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1] | c13cccc(F)c1.N12CCCCC14.O=C2CC3.c14nc[nH]n1 |
1925638 | CN1CCOCC1C(=O)N1CCC(C(O)c2ccc(F)cc2)CC1 | [C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | CN1CCOCC14.N13CCC5CC1.c16ccc(F)cc1.C34=O.C56O |
1925639 | Cc1ccc(NC(=O)C2CC2)cc1NC1CCOC1 | [C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][C][C][O][C][Ring1][Branch1] | Cc1ccc4cc15.C16CCOC1.C37=O.C17CC1.N34.N56 |
1925642 | Cc1nn(-c2ccc(F)cc2)c2[nH]nc(NC(=O)C3CCOC3C)c12 | [C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][NH1][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][C][Ring2][Ring1][Branch2][=Ring1][=C] | Cc1nn7c2[nH]nc5c12.c17ccc(F)cc1.C16CCOC1C.C46=O.N45 |
1925643 | Cc1nn(C)c(C)c1C1COCCN1C(=O)Nc1cccc(F)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1nn(C)c(C)c15.C15COCCN12.c14cccc(F)c1.C23=O.N34 |
1925644 | Cc1nn(C)c(C)c1C1COCCN1c1cnc2ccccc2n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c13cnc2ccccc2n1.Cc1nn(C)c(C)c14.C14COCCN13 |
1925645 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1cc(F)ccc1F | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | Cc1nn(C)c(C)c14.c13cc(F)ccc1F.C14COCCN12.C23=O |
1925646 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1cc(F)cc(F)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | Cc1nn(C)c(C)c14.c13cc(F)cc(F)c1.C14COCCN12.C23=O |
1925647 | Cc1ccccc1C(=O)N1CCOCC1c1c(C)nn(C)c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | c14c(C)nn(C)c1C.Cc1ccccc13.N12CCOCC14.C23=O |
1925648 | Cc1cccc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c15c(C)nn(C)c1C.Cc1cccc4c1.N13CCOCC15.C34=O |
1925649 | Cc1ccc(CCC(=O)N2CCOCC2c2c(C)nn(C)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch2] | c15c(C)nn(C)c1C.Cc1ccc4cc1.N13CCOCC15.C4CC3=O |
1925650 | Cc1cccc(CCC(=O)N2CCOCC2c2c(C)nn(C)c2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | c15c(C)nn(C)c1C.Cc1cccc4c1.N13CCOCC15.C4CC3=O |
1925651 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1ccc(F)cc1F | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | Cc1nn(C)c(C)c14.c13ccc(F)cc1F.C14COCCN12.C23=O |
1925652 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1ccc(F)c(F)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | Cc1nn(C)c(C)c14.c13ccc(F)c(F)c1.C14COCCN12.C23=O |
1925653 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1cccc(F)c1F | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] | Cc1nn(C)c(C)c14.c13cccc(F)c1F.C14COCCN12.C23=O |
1925654 | Cc1nn(C)c(C)c1C1COCCN1C(=O)CCc1ccccc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn(C)c(C)c14.C14COCCN12.c13ccccc1.C2(=O)CC3 |
1925655 | Cc1ccccc1CCC(=O)N1CCOCC1c1c(C)nn(C)c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | c14c(C)nn(C)c1C.Cc1ccccc13.N12CCOCC14.C3CC2=O |
1925656 | Cc1ccc(CCC(=O)N2CCOCC2c2c(C)nn(C)c2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][O][Ring2][Ring1][#Branch1] | c15c(C)nn(C)c1C.N13CCOCC15.Cc1ccc4o1.C4CC3=O |
1925658 | Cc1nn(C)c(C)c1C1COCCN1C(=O)Nc1ccc(F)cc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nn(C)c(C)c15.C15COCCN12.c14ccc(F)cc1.C23=O.N34 |
1925659 | Cc1ccc(NC(=O)N2CCOCC2c2c(C)nn(C)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c16c(C)nn(C)c1C.Cc1ccc5cc1.N14CCOCC16.C34=O.N35 |
1925660 | Cc1nn(C)c(C)c1C1COCCN1C(=O)Nc1cccc(C#N)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] | Cc1nn(C)c(C)c15.c14cccc(C#N)c1.C15COCCN12.C23=O.N34 |
1925661 | C#Cc1cccc(NC(=O)N2CCOCC2c2c(C)nn(C)c2C)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | C#Cc1cccc5c1.c16c(C)nn(C)c1C.N14CCOCC16.C34=O.N35 |
1925662 | Cc1nn(C)c(C)c1C1COCCN1Cc1ncc(C(C)C)o1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][Branch2] | Cc1nn(C)c(C)c15.C15COCCN12.c13ncc4o1.C4(C)C.C23 |
1925663 | Cc1ccc(O)c(C(=O)N2CCOCC2c2c(C)nn(C)c2C)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(O)c4c1.c15c(C)nn(C)c1C.N13CCOCC15.C34=O |
1925664 | COc1ccccc1C(=O)N1CCOCC1c1c(C)nn(C)c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | c15c(C)nn(C)c1C.c13ccccc14.N12CCOCC15.C24=O.CO3 |
1925665 | CC(=O)c1ccc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c16c(C)nn(C)c1C.c14ccc5cc1.N13CCOCC16.CC4=O.C35=O |
1925666 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1cccc2cn[nH]c12 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | c14cccc2cn[nH]c12.Cc1nn(C)c(C)c15.C15COCCN13.C34=O |
1925667 | Cc1nn(C)c(C)c1C1COCCN1C(=O)c1cccc2cc[nH]c12 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | c14cccc2cc[nH]c12.Cc1nn(C)c(C)c15.C15COCCN13.C34=O |
1925668 | NC(=O)NCCC(=O)N=c1[nH]c2ccccc2n1-c1ccc(F)cc1 | [N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C4CC(=O)N=c1[nH]c2ccccc2n15.c15ccc(F)cc1.NC3=O.N34 |
1925669 | CCC1C(c2ccc(C)cc2)CCN1C(=O)CSc1nnnn1C | [C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][N][Ring1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | C15C7CCN13.c17ccc(C)cc1.c16nnnn1C.C3(=O)C4.CC5.S46 |
1925670 | Cc1nnc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n1C1CC1 | [C][C][=N][N][=C][Branch2][Ring1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | C3S(=O)(=O)c1cccc4c1.Cc1nnc3n15.C4(F)(F)F.C15CC1 |
1925671 | O=c1[nH]nc(Cn2c(-c3cccc(Br)c3)noc2=O)[nH]1 | [O][=C][NH1][N][=C][Branch2][Ring1][#Branch1][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][C][Ring1][N][=O][NH1][Ring2][Ring1][Ring1] | n14c6noc1=O.c16cccc(Br)c1.O=c1[nH]nc5[nH]1.C45 |
1925672 | CCc1cnc(CCNC(=O)N2CCCC2c2c(C)n[nH]c2C)s1 | [C][C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][S][Ring2][Ring1][=Branch1] | c18c(C)n[nH]c1C.c16cnc7s1.N14CCCC18.C7C5.C34=O.CC6.N35 |
1925673 | Cc1ccccc1C(C)NCC(=O)N(C)CC1CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1] | Cc1ccccc17.C4C2=O.C37C.N25C.C16CC1.N34.C56 |
1925674 | CN(C)C(=O)C1CCC(CNC(=O)c2ccsc2)O1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][O][Ring1][=C] | C16CCC8O1.c17ccsc1.CN3C.C36=O.C47=O.C58.N45 |
1925675 | CC(NCC(=O)N1CCCCCC1)c1ccc2c(c1)CCC(=O)N2 | [C][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c16ccc2c(c1)CCC(=O)N2.N13CCCCCC1.C5C3=O.CC46.N45 |
1925676 | CCC(NCC(O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 | [C][C][C][Branch2][Ring1][Ring1][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16ccc(C#N)cc1.CCC35.C4C6O.N34 |
1925677 | COC(=O)CCN1CCN(C(=O)CC2C=CCC2)C(C)C1 | [C][O][C][=Branch1][C][=O][C][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][Branch1][C][Branch1][C][C][C][Ring1][#C] | N15CCN4C(C)C1.C3(=O)CC5.C16C=CCC1.C4(=O)C6.CO3 |
1925678 | Cc1ccc(CC(=O)NS(=O)(=O)N(C)Cc2ccccc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1] | N3S(=O)(=O)N4C.Cc1ccc5o1.c16ccccc1.C5C3=O.C46 |
1925679 | Cc1ncccc1C(=O)NC1CCOC1c1ccc(Cl)cc1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1ncccc14.c15ccc(Cl)cc1.C13CCOC15.C24=O.N23 |
1925680 | Cc1nnc(CNC(C)c2cccc(N3CCCC3=O)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][S][Ring2][Ring1][Branch1] | c17cccc8c1.Cc1nnc6s1.N18CCCC1=O.C57C.C46.N45 |
1925681 | CN(CC(O)C(F)(F)F)C(=O)Nc1ccc2c(c1)C(=O)CCC2 | [C][N][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2] | c16ccc2c(c1)C(=O)CCC2.C5C(O)C(F)(F)F.CN35.C34=O.N46 |
1925682 | CN(CC(O)C(F)(F)F)C(=O)Nc1ccc2nc(N(C)C)oc2c1 | [C][N][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][O][C][Ring1][Branch2][=C][Ring1][N] | c17ccc2nc6oc2c1.C5C(O)C(F)(F)F.CN35.C34=O.N6(C)C.N47 |
1925684 | Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)N(C)CCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][Ring2][Ring1][Branch2] | Cc1ccc8cc1.n18nc9cc17.c19ccco1.C45=O.N56C.C6CO.N47 |
1925685 | Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)NCCO)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.n18nc9cc17.c19ccco1.C45=O.C6CO.N47.N56 |
1925687 | O=C(NCc1ccc2c(c1)CCC2)N1CCC(O)(C(F)(F)F)CC1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O] | c17ccc2c(c1)CCC2.N14CCC6(O)CC1.C6(F)(F)F.O=C34.N35.C57 |
1925688 | CC(=O)NC1CCN(c2ccc3c(Cl)ccc(C)c3n2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][N][C][C][Ring2][Ring1][C] | c15ccc2c(Cl)ccc(C)c2n1.C16CCN5CC1.CC4=O.N46 |
1925689 | COCC(O)CNc1ccc2c(Cl)ccc(C)c2n1 | [C][O][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][N] | c15ccc2c(Cl)ccc(C)c2n1.C3C(O)C4.CO3.N45 |
1925690 | CC(C)(C)OC(=O)c1ccccc1NC(=O)C1COCCO1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][C][O][Ring1][=Branch1] | c17ccccc15.C16COCCO1.CC4(C)C.C27=O.C36=O.O24.N35 |
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